AG002TIN

2651-55-0 | Benzoic acid, 3-ethoxy-4-methoxy-

AG002TIN

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CAS Number	2651-55-0
Catalog Number	AG002TIN(AGN-PC-0KLQAA)
Chemical Name	Benzoic acid, 3-ethoxy-4-methoxy-
IUPAC Name	3-ethoxy-4-methoxybenzoic acid
InChI	InChI=1S/C10H12O4/c1-3-14-9-6-7(10(11)12)4-5-8(9)13-2/h4-6H,3H2,1-2H3,(H,11,12)
InChI Key	DMSAIFTWQMXOBE-UHFFFAOYSA-N
MDL Number	MFCD00276591
Molecular Formula	C10H12O4
Molecular Weight	196.1999
SMILES	O=C(O)C1=CC=C(OC)C(OCC)=C1
Synonyms	3-ethoxy-4-methoxybenzoic acid, 2651-55-0, Benzoic acid,3-ethoxy-4-methoxy-, MFCD00276591, Maybridge1_005010, AC1ME6GG, ACMC-1CQM3, SCHEMBL3612256, CTK4F8049, HMS555L16, DTXSID40384932, DMSAIFTWQMXOBE-UHFFFAOYSA-N, AC1Q3621, ZINC2565004, 8772AD, BBL034756, SBB091983, STL416175, AKOS000201746, ACM2651550, BBV-094896, MCULE-6817817500, AJ-41083, CC-14970, 3-Ethoxy-4-methoxybenzoic acid, AldrichCPR, AX8012066, DB-046973, TC-169652, FT-0634430, ST50407144, C-08953, I14-93905, F8889-9248, 3-ETHOXY-4-METHOXYBENZOICACID, C10H12O4, ACN-031334, CID2822957,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.202g/mol
Monoisotopic Mass	196.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
UN Code

Certificate of Analysis

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